[4-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate

Formula:C23H16N2O6S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate is not a drug-like molecule.

MolName	[4-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate
MolecularFormula	C23H16N2O6S3
Smiles	[O-][N+](c(cccc1)c1S(Oc1ccc(/C=C(/C(N2Cc3ccccc3)=O)\SC2=S)cc1)(=O)=O)=O
InChI	InChI=1S/C23H16N2O6S3/c26-22-20(33-23(32)24(22)15-17-6-2-1-3-7-17)14-16-10-12-18(13-11-16)31-34(29,30)21-9-5-4-8-19(21)25(27)28/h1-14H,15H2
InChIK	LTOKZGQVCWEIST-UHFFFAOYSA-N
TotalMolweight	512.586
Molweight	512.586
MonoisotopicMass	512.017048
CLogP	2.7725
CLogS	-5.695
H Acceptors	8
TotalSurfaceArea	358.25
Relative PSA	0.36589
PolarSurfaceArea	175.27
Druglikeness	-2.4231
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	5
Amides	1
AcidicOxygens	1
StereoCon

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